SCHEMBL1600397

SCHEMBL1600397

Cc1ccc(-n2nc(C(C)(C)C)cc2C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.52
MAPK14 Q16539 6/20 0.50
MAPK13 O15264 4/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
PTK2 Q05397 7/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2D6 P10635 2/20 0.43
DDR2 Q16832 2/20 0.43
CYP2C8 P10632 1/20 0.41
CCNC P24863 1/20 0.40
PTGS2 P35354 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12705320 0.87 GRN (0.59) MAPK14MAPK13MAPK12MAPK11GRN
SCHEMBL1140762 0.85 PTGS2 (0.48) MAPK14GRNSORT1CYP2C9PTGS2
SCHEMBL28293268 0.81 SMN1; SMN2 (0.43) CYP2C9
SCHEMBL9910542 0.78 CDK8 (0.55) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL12364234 0.77 CDK8 (0.63) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL12298702 0.76 CDK8 (0.54) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL13263169 0.76 GRN (0.57) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL23398880 0.75 CDK8 (0.56) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL366727 0.75 NPC1 (0.60) CDK8MAPK14MAPK13MAPK12MAPK11
SCHEMBL13234471 0.74 CDK8 (0.52) CDK8MAPK14MAPK13MAPK12MAPK11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A CDK8 2319/4885MAPK14 371/4885MAPK13 765/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK8 2319/4885MAPK14 371/4885MAPK13 765/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B CDK8 988/4885MAPK14 696/4885MAPK13 1755/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CDK8 2319/4885MAPK14 371/4885MAPK13 765/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.